TDT2MOL CC1(C)C2C(=O)C34OC(CC4(C)CCCC3CO)C21C#N 44 47 0 0 0 0 0 3.8500 -1.3400 0.0500 C 0 0 0 3 0 0 2.5400 -0.6600 0.1600 C 0 0 0 0 0 0 2.3200 0.0400 1.4300 C 0 0 0 3 0 0 1.4200 -1.2300 -0.5600 C 0 0 0 1 0 0 0.0700 -1.0700 0.0700 C 0 0 0 0 0 0 -0.5000 -2.1000 0.4400 O 0 0 0 0 0 0 -0.4900 0.3200 0.2000 C 0 0 0 0 0 0 0.5300 1.2200 0.2200 O 0 0 0 0 0 0 1.1200 1.1400 -1.0500 C 0 0 0 1 0 0 -0.0300 0.8700 -2.0200 C 0 0 0 2 0 0 -1.2200 0.7700 -1.0900 C 0 0 0 0 0 0 -1.8200 2.1300 -0.9100 C 0 0 0 3 0 0 -2.2500 -0.2400 -1.3900 C 0 0 0 2 0 0 -3.2500 -0.3100 -0.2700 C 0 0 0 2 0 0 -2.6100 -0.5300 1.0600 C 0 0 0 2 0 0 -1.4500 0.4000 1.3200 C 0 0 0 1 0 0 -0.8100 0.0600 2.6400 C 0 0 0 2 0 0 -0.1500 -1.1100 2.5600 O 0 0 0 1 0 0 2.0700 0.0100 -1.0200 C 0 0 0 0 0 0 2.8300 -0.1100 -2.2800 C 0 0 0 0 0 0 3.4200 -0.1900 -3.2700 N 0 0 0 0 0 0 3.9800 -1.8400 -0.9200 H 0 0 0 0 0 0 3.9300 -2.0900 0.8500 H 0 0 0 0 0 0 4.6600 -0.6000 0.1800 H 0 0 0 0 0 0 2.7200 1.0800 1.3700 H 0 0 0 0 0 0 2.8200 -0.4500 2.2900 H 0 0 0 0 0 0 1.2500 0.1100 1.7000 H 0 0 0 0 0 0 1.5700 -2.1300 -1.1100 H 0 0 0 0 0 0 1.6300 2.0900 -1.2100 H 0 0 0 0 0 0 0.0700 -0.0800 -2.5900 H 0 0 0 0 0 0 -0.1200 1.6500 -2.7900 H 0 0 0 0 0 0 -2.6700 2.1600 -0.2400 H 0 0 0 0 0 0 -2.1400 2.4900 -1.9000 H 0 0 0 0 0 0 -1.0500 2.8300 -0.5300 H 0 0 0 0 0 0 -1.7800 -1.2300 -1.5300 H 0 0 0 0 0 0 -2.7600 0.0100 -2.3300 H 0 0 0 0 0 0 -3.9700 -1.1300 -0.4900 H 0 0 0 0 0 0 -3.8700 0.6100 -0.2600 H 0 0 0 0 0 0 -2.2600 -1.5800 1.1400 H 0 0 0 0 0 0 -3.3500 -0.4100 1.8700 H 0 0 0 0 0 0 -1.8500 1.4300 1.4000 H 0 0 0 0 0 0 -0.1000 0.8500 2.9500 H 0 0 0 0 0 0 -1.5800 0.0000 3.4300 H 0 0 0 0 0 0 -0.7500 -1.8300 2.4200 H 0 0 0 0 0 0 1 2 1 0 2 19 1 0 2 3 1 0 2 4 1 0 4 19 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 16 1 0 7 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 9 19 1 0 19 20 1 0 20 21 3 0 22 1 1 0 23 1 1 0 24 1 1 0 25 3 1 0 26 3 1 0 27 3 1 0 28 4 1 0 29 9 1 0 30 10 1 0 31 10 1 0 32 12 1 0 33 12 1 0 34 12 1 0 35 13 1 0 36 13 1 0 37 14 1 0 38 14 1 0 39 15 1 0 40 15 1 0 41 16 1 0 42 17 1 0 43 17 1 0 44 18 1 0 M END $$$$